N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C19H26ClN3O4S — CID 120616823

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CCNCC1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-24-12-19(6-8-20-9-7-19)17(23)22-18-21-14(11-27-18)13-4-5-15(25-2)16(10-13)26-3;/h4-5,10-11,20H,6-9,12H2,1-3H3,(H,21,22,23);1H
InChIKeyZWRQXUSFKDRTCG-UHFFFAOYSA-N
MW427.95 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120616823) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120616823
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CCNCC1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-24-12-19(6-8-20-9-7-19)17(23)22-18-21-14(11-27-18)13-4-5-15(25-2)16(10-13)26-3;/h4-5,10-11,20H,6-9,12H2,1-3H3,(H,21,22,23);1H
InChIKeyZWRQXUSFKDRTCG-UHFFFAOYSA-N
XLogP3.20
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505903
1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119271809
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120616823) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CCNCC1.Cl.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZWRQXUSFKDRTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-24-12-19(6-8-20-9-7-19)17(23)22-18-21-14(11-27-18)13-4-5-15(25-2)16(10-13)26-3;/h4-5,10-11,20H,6-9,12H2,1-3H3,(H,21,22,23);1H.
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).